4-bromo-1-tert-butyl-3,5-dimethoxypyrazole

C9H15BrN2O2 — CID 147500583

IUPAC4-bromo-1-tert-butyl-3,5-dimethoxypyrazole
SMILESCOc1nn(C(C)(C)C)c(OC)c1Br
InChIInChI=1S/C9H15BrN2O2/c1-9(2,3)12-8(14-5)6(10)7(11-12)13-4/h1-5H3
InChIKeyFHIHJKZBDNCCKD-UHFFFAOYSA-N
MW263.13 g/mol
LogP2.42
Rot. Bonds2

About 4-bromo-1-tert-butyl-3,5-dimethoxypyrazole

4-bromo-1-tert-butyl-3,5-dimethoxypyrazole (PubChem CID 147500583) has the molecular formula C9H15BrN2O2 and a molecular weight of 263.13 g/mol. Its IUPAC name is 4-bromo-1-tert-butyl-3,5-dimethoxypyrazole.

Molecular Properties

Compound Name4-bromo-1-tert-butyl-3,5-dimethoxypyrazole
PubChem CID147500583
Molecular FormulaC9H15BrN2O2
Molecular Weight263.13 g/mol
Exact Mass262.03
IUPAC Name4-bromo-1-tert-butyl-3,5-dimethoxypyrazole
SMILESCOc1nn(C(C)(C)C)c(OC)c1Br
InChIInChI=1S/C9H15BrN2O2/c1-9(2,3)12-8(14-5)6(10)7(11-12)13-4/h1-5H3
InChIKeyFHIHJKZBDNCCKD-UHFFFAOYSA-N
XLogP2.42
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.13
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-1-tert-butyl-5-(difluoromethyl)-3-methoxypyrazole
CID 153449588
1-tert-butyl-3,5-dimethoxy-4-(trifluoromethyl)pyrazole
CID 146379044
5-bromo-1-tert-butyl-4-chloro-3-methoxypyrazole
CID 153449714
1-tert-butyl-3-fluoro-4,5-dimethoxypyrazole
CID 146377153
1-tert-butyl-3,4-dimethoxy-5-methylpyrazole
CID 146378620
1-tert-butyl-4,5-difluoro-3-methoxypyrazole
CID 146378578
N-(5-bromo-1-tert-butyl-3-methoxypyrazol-4-yl)acetamide
CID 147100031
1-tert-butyl-5-methoxy-3-methyl-4-(trifluoromethyl)pyrazole
CID 146379055
1-tert-butyl-3-iodo-5-methoxy-4-(trifluoromethyl)pyrazole
CID 146379047
2-(1-tert-butyl-5-methoxy-3-methylpyrazol-4-yl)ethanol
CID 117124476
1,3-ditert-butyl-5-methoxypyrazole-4-carboxylic acid
CID 117124559
2-(5-bromo-2,6-dimethoxypyrimidin-4-yl)propan-2-amine
CID 83866878

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-tert-butyl-3,5-dimethoxypyrazole?
The IUPAC name of 4-bromo-1-tert-butyl-3,5-dimethoxypyrazole (CID 147500583) is 4-bromo-1-tert-butyl-3,5-dimethoxypyrazole.
What is the SMILES notation for 4-bromo-1-tert-butyl-3,5-dimethoxypyrazole?
The canonical SMILES for 4-bromo-1-tert-butyl-3,5-dimethoxypyrazole is COc1nn(C(C)(C)C)c(OC)c1Br.
What is the InChIKey of 4-bromo-1-tert-butyl-3,5-dimethoxypyrazole?
The InChIKey is FHIHJKZBDNCCKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15BrN2O2/c1-9(2,3)12-8(14-5)6(10)7(11-12)13-4/h1-5H3.
What are the key properties of 4-bromo-1-tert-butyl-3,5-dimethoxypyrazole?
4-bromo-1-tert-butyl-3,5-dimethoxypyrazole has a molecular weight of 263.13 g/mol, XLogP of 2.42, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-tert-butyl-3,5-dimethoxypyrazole is sourced from PubChem (CID 147500583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).